Molecule
ID:35459
General Information
Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c1-7-4-6(9)8-5-2-3-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKey
RTGJBSRHLWCRQV-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)NC1CC1
Isomeric Smiles
C1(NC(=O)CNC)CC1
Calculated Properties
JChem
Acid pKa
15.77725
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.8035781
LogD (pH = 7.4)
-2.2469122
Log P
-0.8325972
Molar Refractivity
34.7081
Polarizability
13.794192
Polar Surface Area
41.13
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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